CHEBI:139034 - (+)-kolavenyl diphosphate

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ChEBI Name (+)-kolavenyl diphosphate
ChEBI ID CHEBI:139034
Definition A diterpenyl phosphate that is the O-diphospho derivative of (+)-kolavenol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H36O7P2
Net Charge 0
Average Mass 450.444
Monoisotopic Mass 450.19363
InChI InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,19+,20+/m0/s1
InChIKey LKJRXYMJDDAXEN-LZLHAIBVSA-N
SMILES [C@]1(CC/C(/C)=C/COP(OP(=O)(O)O)(=O)O)([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)C
ChEBI Ontology
Outgoing (+)-kolavenyl diphosphate (CHEBI:139034) is a diterpenyl phosphate (CHEBI:36772)
(+)-kolavenyl diphosphate (CHEBI:139034) is a octahydronaphthalenes (CHEBI:138397)
(+)-kolavenyl diphosphate (CHEBI:139034) is conjugate acid of (+)-kolavenyl diphosphate(3−) (CHEBI:138311)
(+)-kolavenyl diphosphate (CHEBI:139034) is enantiomer of (−)-kolavenyl diphosphate (CHEBI:139033)
Incoming (+)-kolavenyl diphosphate(3−) (CHEBI:138311) is conjugate base of (+)-kolavenyl diphosphate (CHEBI:139034)
(−)-kolavenyl diphosphate (CHEBI:139033) is enantiomer of (+)-kolavenyl diphosphate (CHEBI:139034)
IUPAC Name
(2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Synonym Source
(+)-kolavenyl pyrophosphate ChEBI
Manual Xref Database
CPD-20430 MetaCyc
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Last Modified
13 November 2017